(E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid

C10H17NO3 — CID 106362463

IUPAC(E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
SMILESO=C(O)/C=C/CNC1CCCC1CO
InChIInChI=1S/C10H17NO3/c12-7-8-3-1-4-9(8)11-6-2-5-10(13)14/h2,5,8-9,11-12H,1,3-4,6-7H2,(H,13,14)/b5-2+
InChIKeyCFRXYJIROIZIMN-GORDUTHDSA-N
MW199.25 g/mol
LogP0.38
Rot. Bonds5

About (E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid

(E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid (PubChem CID 106362463) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
PubChem CID106362463
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
SMILESO=C(O)/C=C/CNC1CCCC1CO
InChIInChI=1S/C10H17NO3/c12-7-8-3-1-4-9(8)11-6-2-5-10(13)14/h2,5,8-9,11-12H,1,3-4,6-7H2,(H,13,14)/b5-2+
InChIKeyCFRXYJIROIZIMN-GORDUTHDSA-N
XLogP0.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[[(E)-but-2-enyl]amino]cyclopentyl]methanol
CID 106360609
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-methylbut-2-enoic acid
CID 106362470
2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
CID 106362430
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylbut-2-enoic acid
CID 106362516
(E)-4-(cycloheptylamino)but-2-enoic acid
CID 103237236
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
[2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol
CID 106360754
3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid
CID 106362427
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
[2-[(3-chloro-2-methylprop-2-enyl)amino]cyclopentyl]methanol
CID 106438361
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106360968

Frequently Asked Questions

What is the IUPAC name of (E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid?
The IUPAC name of (E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid (CID 106362463) is (E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid.
What is the SMILES notation for (E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid?
The canonical SMILES for (E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid is O=C(O)/C=C/CNC1CCCC1CO.
What is the InChIKey of (E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid?
The InChIKey is CFRXYJIROIZIMN-GORDUTHDSA-N. The full InChI is InChI=1S/C10H17NO3/c12-7-8-3-1-4-9(8)11-6-2-5-10(13)14/h2,5,8-9,11-12H,1,3-4,6-7H2,(H,13,14)/b5-2+.
What are the key properties of (E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid?
(E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid is sourced from PubChem (CID 106362463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).